Butanoic acid, 2-hydroxy-4-(methylthio)-


Chemical Name: Butanoic acid, 2-hydroxy-4-(methylthio)-
CAS Number: 583-91-5
Product Number: AG003HE5(AGN-PC-07Y4N8)
Synonyms:
MDL No:
Molecular Formula: C5H10O3S
Molecular Weight: 150.1961

Identification/Properties


Properties
BP:
316.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.5151 (estimate)
Computed Properties
Molecular Weight:
150.192g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
150.035g/mol
Monoisotopic Mass:
150.035g/mol
Topological Polar Surface Area:
82.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
94.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H315-H318-H412
Precautionary Statements:
P273-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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